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Searched refs:ROT2X (Results 1 – 5 of 5) sorted by relevance

/dports/science/gabedit/GabeditSrc251_300720/src/Symmetry/
H A DReduceMolecule.c85 case ROT2X: in removeHalfSpace()
230 if (sym & SYM_D) removeHalfSpace(mol,ROT2X); in reduceMoleculeToItsBasisSetOfAtoms()
H A DMoleculeSymmetryType.h40 ROT2X, enumerator
H A DSymmetryOperators.c228 case ROT2X: in testRotationReflection()
405 ret = testRotationReflection(&tmpMol,ROT2X); /* D-axis ? */ in checkForVPlanesOrDAxis()
415 ret = testRotationReflection(&tmpMol,ROT2X); /* D-axis ? */ in checkForVPlanesOrDAxis()
H A DMoleculeSymmetry.c266 ix = testRotationReflection(mol,ROT2X); in getAbelianGroupSymbol()
267 iy = testRotationReflection(mol,ROT2X); in getAbelianGroupSymbol()
373 if (testRotationReflection(mol,ROT2X)==1) in determineSymmetry()
H A DGenerateMolecule.c352 case ROT2X: in AddHalfSpace()
863 else if(!strcmp(elements[i],"C2x")) AddHalfSpace(mol, ROT2X); in generateMoleculeFromTheBasisSetOfAtoms()